Product Name2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
CAS83558-87-6
Molecular FormulaC15H12F6N2O2
Molecular Weight366.26
InChIInChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
InChIKey MSTZGVRUOMBULC-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C(N)=C1)(C1=CC=C(O)C(N)=C1)(C(F)(F)F)C(F)(F)F
Mass
MS-IW-2134 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol) C15H12F6N2O2 (Mass of molecular ion: 366)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 4.4 28.0 1.7 51.0 1.6 52.0 1.3 53.0 1.5 63.0 1.2 77.0 2.0 80.0 1.1 91.0 1.5 91.5 5.9 92.0 1.1 99.0 1.9 99.5 1.3 100.0 1.2 100.5 1.0 101.5 1.1 105.0 1.2 105.5 1.3 109.0 1.1 113.5 1.7 114.0 2.4 115.0 1.0 116.0 1.3 125.5 1.0 126.0 1.3 134.0 1.2 139.5 1.1 140.0 2.5 148.0 1.0 148.5 1.6 154.0 3.0 155.0 1.1 174.0 2.3 182.0 2.2 183.0 7.6 184.0 1.2 198.0 1.3 199.0 1.2 207.0 5.3 208.0 1.2 210.0 2.0 211.0 2.9 212.0 1.3 222.0 1.8 227.0 2.7 228.0 1.2 229.0 1.4 232.0 1.4 235.0 1.3 250.0 1.1 251.0 8.0 252.0 22.7 253.0 3.4 263.0 17.2 264.0 3.4 278.0 1.6 279.0 6.3 280.0 11.0 281.0 2.5 296.0 1.4 297.0 31.1 298.0 5.1 320.0 9.4 321.0 1.7 347.0 2.5 348.0 2.6 349.0 1.7 365.0 3.1 366.0 100.0 367.0 17.6 368.0 1.9
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C15 H12 F6 N2 O2 | 0.054 g : 0.5 ml DMSO-d6 |
4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol) |
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Assign. Shift(ppm) |
Hz ppm Int.
3767.09 9.426 65 2669.83 6.681 822 2661.44 6.660 1000 2650.15 6.632 23 2647.40 6.625 21 2635.04 6.594 675 2579.65 6.455 375 2571.41 6.435 318 1864.93 4.667 201
in DMSO-d6
KBr disc
nujol mull
2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane(83558-87-6) IR1 Atlas of Related Products
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